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CHEBI:67965 - hopane-6β,7β,22-triol

ChEBI IDCHEBI:67965
ChEBI Namehopane-6β,7β,22-triol
Stars
ASCII Namehopane-6beta,7beta,22-triol
DefinitionA hopanoid that is hopane substituted by hydroxy groups at positions 6, 7 and 22 (the 6β,7β-stereoisomer). It has been isolated from Conoideocrella tenuis.
Last Modified27 May 2015
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])[C@H](O)[C@H](O)[C@@]3(C)[C@]1(C)CC[C@@]1([H])[C@@H](C(C)(C)O)CC[C@]21C
InChIInChI=1S/C30H52O3/c1-25(2)14-9-15-28(6)21-11-10-20-27(5)16-12-18(26(3,4)33)19(27)13-17-29(20,7)30(21,8)24(32)22(31)23(25)28/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21+,22-,23-,24-,27-,28+,29+,30-/m0/s1
InChIKeyVYLJAYXZTOTZRR-QKJSLZMYSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella tenuis (ncbitaxon:1105321) mycelium (BTO:0001436) PubMed (21473608) Filtrate of mycelia macerated with methanol Strain: BCC 18627
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
hopane-6β,7β,22-triol (CHEBI:67965) has role fungal metabolite (CHEBI:76946)
hopane-6β,7β,22-triol (CHEBI:67965) is a hopanoid (CHEBI:51963)
hopane-6β,7β,22-triol (CHEBI:67965) is a pentacyclic triterpenoid (CHEBI:25872)
hopane-6β,7β,22-triol (CHEBI:67965) is a triol (CHEBI:27136)
IUPAC Name 
(6β,7β)-hopane-6,7,22-triol
Registry NumbersSources
Reaxys:21448551Reaxys
Citations